N-[(2-amino-6-fluorophenyl)methoxy]propanamide

C10H13FN2O2 — CID 90192871

IUPACN-[(2-amino-6-fluorophenyl)methoxy]propanamide
SMILESCCC(=O)NOCc1c(N)cccc1F
InChIInChI=1S/C10H13FN2O2/c1-2-10(14)13-15-6-7-8(11)4-3-5-9(7)12/h3-5H,2,6,12H2,1H3,(H,13,14)
InChIKeyUVCPEMOKBZTGJW-UHFFFAOYSA-N
MW212.22 g/mol
LogP1.37
Rot. Bonds4

About N-[(2-amino-6-fluorophenyl)methoxy]propanamide

N-[(2-amino-6-fluorophenyl)methoxy]propanamide (PubChem CID 90192871) has the molecular formula C10H13FN2O2 and a molecular weight of 212.22 g/mol. Its IUPAC name is N-[(2-amino-6-fluorophenyl)methoxy]propanamide.

Molecular Properties

Compound NameN-[(2-amino-6-fluorophenyl)methoxy]propanamide
PubChem CID90192871
Molecular FormulaC10H13FN2O2
Molecular Weight212.22 g/mol
Exact Mass212.10
IUPAC NameN-[(2-amino-6-fluorophenyl)methoxy]propanamide
SMILESCCC(=O)NOCc1c(N)cccc1F
InChIInChI=1S/C10H13FN2O2/c1-2-10(14)13-15-6-7-8(11)4-3-5-9(7)12/h3-5H,2,6,12H2,1H3,(H,13,14)
InChIKeyUVCPEMOKBZTGJW-UHFFFAOYSA-N
XLogP1.37
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.22
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[[2-amino-6-(difluoromethyl)phenyl]methoxy]propanamide
CID 130318592
N-[[2-fluoro-6-(5-oxo-1H-tetrazol-4-yl)phenyl]methoxy]propanamide
CID 136997030
ethyl 3-(2-amino-6-fluorophenyl)propanoate
CID 174546302
azane;2-ethyl-3-fluoroaniline
CID 68647628
N-hydroxy-3-methyl-2-[(propanoylamino)oxymethyl]benzamide
CID 130318288
1-(2-amino-6-fluorophenyl)propan-1-one
CID 14773127
(2-amino-6-fluorophenyl) propanoate
CID 70075863
methyl 3-[(2-amino-6-fluorophenyl)methylsulfanyl]propanoate
CID 63331710
3-fluoro-2-(phenylmethoxymethyl)aniline
CID 63331645
2-(3,3-dimethylbutoxymethyl)-3-fluoroaniline
CID 66232681
2-(diethoxyphosphorylmethyl)-3-fluoroaniline
CID 166609654
2-[(2,6-dichlorophenoxy)methyl]-3-fluoroaniline
CID 55200768

Frequently Asked Questions

What is the IUPAC name of N-[(2-amino-6-fluorophenyl)methoxy]propanamide?
The IUPAC name of N-[(2-amino-6-fluorophenyl)methoxy]propanamide (CID 90192871) is N-[(2-amino-6-fluorophenyl)methoxy]propanamide.
What is the SMILES notation for N-[(2-amino-6-fluorophenyl)methoxy]propanamide?
The canonical SMILES for N-[(2-amino-6-fluorophenyl)methoxy]propanamide is CCC(=O)NOCc1c(N)cccc1F.
What is the InChIKey of N-[(2-amino-6-fluorophenyl)methoxy]propanamide?
The InChIKey is UVCPEMOKBZTGJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13FN2O2/c1-2-10(14)13-15-6-7-8(11)4-3-5-9(7)12/h3-5H,2,6,12H2,1H3,(H,13,14).
What are the key properties of N-[(2-amino-6-fluorophenyl)methoxy]propanamide?
N-[(2-amino-6-fluorophenyl)methoxy]propanamide has a molecular weight of 212.22 g/mol, XLogP of 1.37, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-amino-6-fluorophenyl)methoxy]propanamide is sourced from PubChem (CID 90192871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).